dimethyl 5-[2-(4-methylphenoxy)ethanoylcarbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(4-methylphenoxy)ethanoylcarbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(4-methylphenoxy)acetyl]carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[[2-(4-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(4-methylphenoxy)acetyl]carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(4-methylphenoxy)acetyl]thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C20H20N2O6S/c1-12-4-6-16(7-5-12)28-11-17(23)22-20(29)21-15-9-13(18(24)26-2)8-14(10-15)19(25)27-3/h4-10H,11H2,1-3H3,(H2,21,22,23,29)